Humberto González Díaz

发表

TOPS-MODE Based QSARs Derived from Heterogeneous Series of Compounds. Applications to the Design of New Herbicides

Maykel Pérez González, Humberto González Díaz, Reinaldo Molina Ruiz, 2003, J. Chem. Inf. Comput. Sci..

Perturbation Theory-Machine Learning Study of Zeolite Materials Desilication

Humberto González Díaz, Vincent Blay, Toshiyuki Yokoi, 2018, J. Chem. Inf. Model..

QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models

Pravin Ambure, M. Natália D. S. Cordeiro, Humberto González Díaz, 2019, J. Chem. Inf. Model..

Designing Antibacterial Compounds through a Topological Substructural Approach

Maykel Pérez González, Humberto González Díaz, Enrique Molina Pérez, 2004, J. Chem. Inf. Model..

Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems

Maykel Cruz-Monteagudo, Fernanda Borges, Humberto González Díaz, 2007, J. Comput. Chem..

New Markov-Autocorrelation Indices for Re-evaluation of Links in Chemical and Biological Complex Networks used in Metabolomics, Parasitology, Neurosciences, and Epidemiology

Humberto González Díaz, Pablo Riera-Fernández, Pablo Riera-Fernández, 2012, J. Chem. Inf. Model..

Modeling Diamagnetic and Magnetooptic Properties of Organic Compounds with the TOSS-MODE Approach

Humberto González Díaz, Ernesto Estrada, Yaquelin Gutierrez, 2000, J. Chem. Inf. Comput. Sci..

Unified QSAR and network‐based computational chemistry approach to antimicrobials, part 1: Multispecies activity models for antifungals

Humberto González Díaz, Francisco J. Prado-Prado, F. Prado-Prado, 2008, J. Comput. Chem..

Markov Entropy Centrality: Chemical, Biological, Crime, and Legislative Networks

Maykel Cruz-Monteagudo, Alejandro Pazos, Cristian R. Munteanu, 2011, Towards an Information Theory of Complex Networks.

Experimental study and Random Forest prediction model of microbiome cell surface hydrophobicity

Yong Liu, Carlos Fernandez-Lozano, Cristian R. Munteanu, 2017, Expert Syst. Appl..

What Are the Limits of Applicability for Graph Theoretic Descriptors in QSPR/QSAR? Modeling Dipole Moments of Aromatic Compounds with TOPS-MODE Descriptors

Humberto González Díaz, Ernesto Estrada, 2003, J. Chem. Inf. Comput. Sci..

Comparative Study of Topological Indices of Macro/Supramolecular RNA Complex Networks

Humberto González Díaz, Guillermín Agüero-Chapín, Kuo-Chen Chou, 2008, J. Chem. Inf. Model..

MMM-QSAR Recognition of Ribonucleases without Alignment: Comparison with an HMM Model and Isolation from Schizosaccharomyces pombe, Prediction, and Experimental Assay of a New Sequence

Humberto González Díaz, Guillermín Agüero-Chapín, Aminael Sánchez-Rodríguez, 2008, J. Chem. Inf. Model..

MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors.

M. Natália D. S. Cordeiro, Humberto González Díaz, Michael González-Durruthy, 2018, Journal of chemical information and modeling.

Modeling Antibacterial Activity with Machine Learning and Fusion of Chemical Structure Information with Microorganism Metabolic Networks

Sonia Arrasate, Nuria Sotomayor, Esther Lete, 2019, J. Chem. Inf. Model..

Symmetry considerations in Markovian chemicals 'in silico' design (MARCH-INSIDE) I: central chirality codification, classification of ACE inhibitors and prediction of \sigma-receptor antagonist activities

Humberto González Díaz, Eugenio Uriarte, Lourdes Santana, 2003, Comput. Biol. Chem..

Markovian negentropies in bioinformatics. 1. A picture of footprints after the interaction of the HIV-1 -RNA packaging region with drugs

Humberto González Díaz, Reinaldo Molina Ruiz, Ronal Ramos de Armas, 2003, Bioinform..

Computational chemistry study of 3D‐structure‐function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentials

Humberto González Díaz, Eugenio Uriarte, Gianni Podda, 2009, J. Comput. Chem..

ANN Multiscale Model of Anti-HIV Drugs Activity vs AIDS Prevalence in the US at County Level Based on Information Indices of Molecular Graphs and Social Networks

Cristian R. Munteanu, Humberto González Díaz, Alejandro Pazos, 2014, J. Chem. Inf. Model..

Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3D and topological indices

Humberto González Díaz, Yunierkis Pérez-Castillo, Eugenio Uriarte, 2007, J. Comput. Chem..

Computational chemistry approach to protein kinase recognition using 3D stochastic van der Waals spectral moments

Humberto González Díaz, Reinaldo Molina Ruiz, Yenny González-Díaz, 2007, J. Comput. Chem..

Perturbation-Theory and Machine Learning (PTML) Model for High-Throughput Screening of Parham Reactions: Experimental and Theoretical Studies

Sonia Arrasate, Nuria Sotomayor, Esther Lete, 2018, J. Chem. Inf. Model..

Mapping chemical structure-activity information of HAART-drug cocktails over complex networks of AIDS epidemiology and socioeconomic data of U.S. counties

Humberto González Díaz, Alejandro Pazos, Diana María Herrera-Ibatá, 2015, Biosyst..

The Rücker-Markov invariants of complex Bio-Systems: Applications in Parasitology and Neuroinformatics

Cristian R. Munteanu, Humberto González Díaz, Alejandro Pazos, 2013, Biosyst..

Unified QSAR & network‐based computational chemistry approach to antimicrobials. II. Multiple distance and triadic census analysis of antiparasitic drugs complex networks

Fernanda Borges, Humberto González Díaz, Francisco J. Prado-Prado, 2010, J. Comput. Chem..

2D‐RNA‐coupling numbers: A new computational chemistry approach to link secondary structure topology with biological function

Humberto González Díaz, Reinaldo Molina Ruiz, Javier Varona, 2007, J. Comput. Chem..

Experimental-Computational Study of Carbon Nanotube Effects on Mitochondrial Respiration: In Silico Nano-QSPR Machine Learning Models Based on New Raman Spectra Transform with Markov-Shannon Entropy Invariants

Cristian R. Munteanu, Humberto González Díaz, José Manuel Vázquez-Naya, 2017, J. Chem. Inf. Model..

Modeling Complex Metabolic Reactions, Ecological Systems, and Financial and Legal Networks with MIANN Models Based on Markov-Wiener Node Descriptors

Cristian R. Munteanu, Humberto González Díaz, Alejandro Pazos, 2014, J. Chem. Inf. Model..

QSAR model for alignment‐free prediction of human breast cancer biomarkers based on electrostatic potentials of protein pseudofolding HP‐lattice networks

Humberto González Díaz, Eugenio Uriarte, Lourdes Santana, 2008, J. Comput. Chem..

Simple stochastic fingerprints towards mathematical modelling in biology and medicine. 1. The treatment of coccidiosis

Humberto González Díaz, Ronal Ramos de Armas, Ervelio Olazabal, 2004, Bulletin of mathematical biology.

Protein quadratic indices of the "macromolecular pseudograph's alpha-carbon atom adjacency matrix". 1. Prediction of Arc repressor alanine-mutant's stability.

Francisco Torrens, Humberto González Díaz, Eduardo A Castro, 2004, Molecules.

3D-MEDNEs: an alternative "in silico" technique for chemical research in toxicology. 1. prediction of chemically induced agranulocytosis.

Humberto González Díaz, Eugenio Uriarte, Nilo Castañedo, 2003, Chemical research in toxicology.

Stochastic molecular descriptors for polymers. 1. Modelling the properties of icosahedral viruses with 3D-Markovian negentropies

Humberto González Díaz, Eugenio Uriarte, Reinaldo Molina, 2004 .

A novel approach to predict a toxicological property of aromatic compounds in the Tetrahymena pyriformis.

Maykel Pérez González, Humberto González Díaz, Reinaldo Molina Ruiz, 2004, Bioorganic & medicinal chemistry.

A topological sub-structural approach for predicting human intestinal absorption of drugs.

Maykel Pérez González, Humberto González Díaz, H. Díaz, 2004, European journal of medicinal chemistry.